2-dimorpholin-4-ylphosphoryloxy-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 2-dimorpholin-4-ylphosphoryloxy-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 2-dimorpholinophosphoryloxy-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 2-[bis(4-morpholinyl)phosphoryloxy]-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 2-dimorpholin-4-ylphosphoryloxy-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 2-dimorpholinophosphoryloxy-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C24H25FN5O4P MolecularWeight: 497.458564

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)(N2CCOCC2)OC3=NC4=C(C=C(C=C4)C#N)C(=NC3)C5=CC=CC=C5F

Isomeric SMILES

C1COCCN1P(=O)(N2CCOCC2)OC3=NC4=C(C=C(C=C4)C#N)C(=NC3)C5=CC=CC=C5F

InChI

InChI=1S/C24H25FN5O4P/c25-21-4-2-1-3-19(21)24-20-15-18(16-26)5-6-22(20)28-23(17-27-24)34-35(31,29-7-11-32-12-8-29)30-9-13-33-14-10-30/h1-6,15H,7-14,17H2